Molecule

ID:33364

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N
Molecular Mass
115.21658
Exact Mass
115.13609955
Charge
0
InChI
InChI=1S/C7H17N/c1-6(2)5-8-7(3)4/h6-8H,5H2,1-4H3
InChIKey
PHQYHKHLCPPXKT-UHFFFAOYSA-N
Canonic Smiles
CC(NCC(C)C)C
Isomeric Smiles
N(CC(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.413837
LogD (pH = 7.4)
-1.2077452
Log P
1.8248076
Molar Refractivity
37.605
Polarizability
15.189125
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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